4-[(2-butoxy-5-chloranyl-phenyl)methylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2-butoxy-5-chloranyl-phenyl)methylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(2-butoxy-5-chloro-phenyl)methylamino]-4-oxo-butanoic acid CAS Name: 4-[(2-butoxy-5-chlorophenyl)methylamino]-4-oxobutanoic acid IUPAC Name: 4-[(2-butoxy-5-chlorophenyl)methylamino]-4-oxobutanoic acid Traditional Name: 4-[(2-butoxy-5-chloro-benzyl)amino]-4-keto-butyric acid Formula: C15H20ClNO4 MolecularWeight: 313.7766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Cl)CNC(=O)CCC(=O)O

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Cl)CNC(=O)CCC(=O)O

InChI

InChI=1S/C15H20ClNO4/c1-2-3-8-21-13-5-4-12(16)9-11(13)10-17-14(18)6-7-15(19)20/h4-5,9H,2-3,6-8,10H2,1H3,(H,17,18)(H,19,20)